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SMILES: OP(O)(=O)C(F)c1cccc(n1)C(F)P(O)(O)=O

InChI Key: InChIKey=DGQXQGHJGGJPDV-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50216699   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216699
PNG
(CHEMBL147415)
Show SMILES OP(O)(=O)C(F)c1cccc(n1)C(F)P(O)(O)=O
Show InChI InChI=1S/C7H9F2NO6P2/c8-6(17(11,12)13)4-2-1-3-5(10-4)7(9)18(14,15)16/h1-3,6-7H,(H2,11,12,13)(H2,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
6.10E+4n/an/an/an/an/an/a7.1n/a



Sheffield University

Curated by ChEMBL


Assay Description
Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Homo sapiens (Human))
BDBM50216699
PNG
(CHEMBL147415)
Show SMILES OP(O)(=O)C(F)c1cccc(n1)C(F)P(O)(O)=O
Show InChI InChI=1S/C7H9F2NO6P2/c8-6(17(11,12)13)4-2-1-3-5(10-4)7(9)18(14,15)16/h1-3,6-7H,(H2,11,12,13)(H2,14,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.70E+4n/an/an/an/an/an/a



Sheffield University

Curated by ChEMBL


Assay Description
Inhibitory activity against 3-phosphoglycerate kinase.


Bioorg Med Chem Lett 8: 515-20 (1998)


BindingDB Entry DOI: 10.7270/Q2SN0C53
More data for this
Ligand-Target Pair